| Properties | Image |
|---|
| MNX_ID | MNXM104008 |
 |
| reference | chebi:65656 |
| formula | C61H45Cl6N7O17 |
| global charge | 0 |
| mol weight | 1360.781 |
| InChIKey | NGSUYOQYYVLKJJ-NAZRFLCCSA-N |
| InChI | InChI=1S/C61H45Cl6N7O17/c1-74-42(54(82)73-47(59(87)88)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)91-43-21-26-13-32(49(43)77)25-6-11-33-40(20-25)69-60(89)61(33,90)22-41(68-57(85)48(76)29-18-38(66)52(80)39(67)19-29)53(81)70-45(27-14-34(62)50(78)35(63)15-27)55(83)71-44(26)56(84)72-46(58(74)86)28-16-36(64)51(79)37(65)17-28/h2-11,13-21,41-42,44-47,75,77-80,90H,12,22H2,1H3,(H,68,85)(H,69,89)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t41-,42+,44-,45-,46-,47-,61?/m1/s1 |
| SMILES | CN1C(=O)[C@@H](C2=CC(Cl)=C(O)C(Cl)=C2)NC(=O)[C@@H]2NC(=O)[C@@H](C3=CC(Cl)=C(O)C(Cl)=C3)NC(=O)[C@H](NC(=O)C(=O)C3=CC(Cl)=C(O)C(Cl)=C3)CC3(O)C(=O)NC4=CC(=CC=C43)C3=CC2=CC(=C3O)OC2=CC=C(C=C2)C[C@H]1C(=O)N[C@@H](C(=O)O)C1=CC=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C61H45Cl6N7O17/c1-74-42(54(82)73-47(59(87)88)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)91-43-21-26-13-32(49(43)77)25-6-11-33-40(20-25)69-60(89)61(33,90)22-41(68-57(85)48(76)29-18-38(66)52(80)39(67)19-29)53(81)70-45(27-14-34(62)50(78)35(63)15-27)55(83)71-44(26)56(84)72-46(58(74)86)28-16-36(64)51(79)37(65)17-28/h2-11,13-21,41-42,44-47,75,77-80,90H,12,22H2,1H3,(H,68,85)(H,69,89)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t41-,42+,44-,45-,46-,47-,61?/m1/s1 |
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| SMILES (mnx) | [CH3:1][N:74]1[C@H:42]([C:54](=[N:73][C@H:47]([C:24]2=[CH:5][CH:8]=[C:30]([OH:75])[CH:7]=[CH:4]2)[C:59](=[O:87])[OH:88])[OH:82])[CH2:12][C:23]2=[CH:2][CH:9]=[C:31]([CH:10]=[CH:3]2)[O:91][C:43]2=[C:49]([OH:77])[C:32]3=[CH:13][C:26](=[CH:21]2)[C@H:44]([C:56]([OH:84])=[N:72][C@H:46]([C:28]2=[CH:16][C:36]([Cl:64])=[C:51]([OH:79])[C:37]([Cl:65])=[CH:17]2)[C:58]1=[O:86])[N:71]=[C:55]([OH:83])[C@@H:45]([C:27]1=[CH:14][C:34]([Cl:62])=[C:50]([OH:78])[C:35]([Cl:63])=[CH:15]1)[N:70]=[C:53]([OH:81])[C@H:41]([NH:68][C:57]([C:48]([C:29]1=[CH:18][C:38]([Cl:66])=[C:52]([OH:80])[C:39]([Cl:67])=[CH:19]1)=[O:76])=[O:85])[CH2:22][C:61]1([OH:90])[C:33]2=[CH:11][CH:6]=[C:25]3[CH:20]=[C:40]2[N:69]=[C:60]1[OH:89] |
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